Crystallography Open Database

Information card for entry 7117052

Preview

Coordinates	7117052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl2 Co N4
Calculated formula	C18 H18 Cl2 Co N4
Title of publication	A robust and efficient cobalt molecular catalyst for CO2 reduction
Authors of publication	Sharon Lai-Fung Chan; Tsz Lung Lam; Chen Yang; Siu-Cheong Yan; Nga Man Cheng
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	7799
a	11.574 ± 0.0006 Å
b	15.2041 ± 0.0009 Å
c	19.9081 ± 0.0011 Å
α	90.06 ± 0.002°
β	103.277 ± 0.002°
γ	110.696 ± 0.002°
Cell volume	3176.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1312
Residual factor for significantly intense reflections	0.1207
Weighted residual factors for significantly intense reflections	0.3208
Weighted residual factors for all reflections included in the refinement	0.3355
Goodness-of-fit parameter for all reflections included in the refinement	1.426
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180284 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/70.	7117052.cif
135379	2015-04-27	cif/ Adding structures of 7117052 via cif-deposit CGI script.	7117052.cif